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fix: preserve LAMMPS configuration indices - #384

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njzjz-bot:fix/issue-358-preserve-conf-idx
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fix: preserve LAMMPS configuration indices#384
njzjz-bot wants to merge 1 commit into
deepmodeling:masterfrom
njzjz-bot:fix/issue-358-preserve-conf-idx

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Summary

  • copy caller configuration before normalization
  • preserve an explicit conf_idx value
  • add the empty workaround only when the key is absent
  • cover the exported helper with an explicit index regression test

Tests

  • PYTHONPATH=tests python -m unittest -v tests.exploration.test_make_task_group_from_config.TestMakeLmpTaskGroupFromConfig.test_npt_preserves_explicit_conf_idx tests.exploration.test_make_task_group_from_config.TestMakeLmpTaskGroupFromConfig.test_npt
  • ruff format --check dpgen2/exploration/task/make_task_group_from_config.py tests/exploration/test_make_task_group_from_config.py
  • isort --check-only dpgen2/exploration/task/make_task_group_from_config.py tests/exploration/test_make_task_group_from_config.py
  • git diff --check

Closes #358

Coding agent: Codex
Codex version: codex-cli 0.149.0
Model: gpt-5.6-sol
Reasoning effort: xhigh

@dosubot dosubot Bot added size:L This PR changes 100-499 lines, ignoring generated files. bug Something isn't working labels Aug 23, 2026
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coderabbitai Bot commented Aug 23, 2026

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Reviewing files that changed from the base of the PR and between 6b01f29 and 83808a2.

📒 Files selected for processing (2)
  • dpgen2/exploration/task/make_task_group_from_config.py
  • tests/exploration/test_make_task_group_from_config.py

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@codecov

codecov Bot commented Aug 23, 2026

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Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 84.43%. Comparing base (6b01f29) to head (83808a2).

Additional details and impacted files
@@           Coverage Diff           @@
##           master     #384   +/-   ##
=======================================
  Coverage   84.43%   84.43%           
=======================================
  Files         104      104           
  Lines        6110     6111    +1     
=======================================
+ Hits         5159     5160    +1     
  Misses        951      951           

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Copy task-group configuration and only supply an empty conf_idx default when the caller omitted the field.

Closes deepmodeling#358

Coding-Agent: Codex
Codex-Version: codex-cli 0.149.1
Model: gpt-5.6-sol
Reasoning-Effort: xhigh
@njzjz-bot
njzjz-bot force-pushed the fix/issue-358-preserve-conf-idx branch from 4cf94ce to 83808a2 Compare August 26, 2026 11:00
@dosubot dosubot Bot added size:XS This PR changes 0-9 lines, ignoring generated files. and removed size:L This PR changes 100-499 lines, ignoring generated files. labels Aug 26, 2026
wanghan-iapcm

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@wanghan-iapcm
wanghan-iapcm dismissed their stale review August 27, 2026 04:12

Retracted. This review was produced without running the mandated /code-review fan-out (the loop skill's section 2); the substitute process used instead has since been shown to miss findings and, in one case, to state a verified-sounding falsehood. Re-reviewing properly.

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[Code scan] Preserve caller-provided conf_idx in make_lmp_task_group_from_config

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